CID 9994917

Chembl220412

Structural Information

Molecular Formula
C20H17N3
SMILES
CC(C1=CC=CC=C1)N2C=CC3=NC(=NC3=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3/c1-15(16-8-4-2-5-9-16)23-13-12-18-19(14-23)22-20(21-18)17-10-6-3-7-11-17/h2-15H,1H3
InChIKey
UTSTTYDZCQFSNK-UHFFFAOYSA-N
Compound name
2-phenyl-5-(1-phenylethyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

299.14224 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.149516 171.7
[M+Na]+ 322.131458 179.8
[M-H]- 298.134964 178.3
[M+NH4]+ 317.176063 184.7
[M+K]+ 338.105398 172.9
[M+H-H2O]+ 282.139500 160.5
[M+HCOO]- 344.140441 190.7
[M+CH3COO]- 358.156091 182.3
[M+Na-2H]- 320.116906 176.2
[M]+ 299.14169142 171.2
[M]- 299.14278858 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe